SCHEMBL18729482

SCHEMBL18729482

CNc1ccc(-c2cn3ccc(NC)nc3n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.48
PDE10A Q9Y233 2/20 0.46
RAB9A P51151 9/20 0.44
KDM4E B2RXH2 8/20 0.44
ALDH1A1 P00352 8/20 0.44
NPC1 O15118 7/20 0.44
GAA P10253 6/20 0.44
GLA P06280 5/20 0.44
HPGD P15428 5/20 0.44
KMT2A Q03164 4/20 0.44
HSD17B10 Q99714 4/20 0.44
MEN1 O00255 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
CYP1A2 P05177 2/20 0.44
POLB P06746 1/20 0.40
TP53 P04637 3/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17626765 0.88 RAB9A (0.56) APPPDE10ARAB9AKDM4EALDH1A1
SCHEMBL17626844 0.87 PDE10A (0.47) APPPDE10ARAB9AKDM4EALDH1A1
SCHEMBL17626863 0.86 PDE10A (0.58) PDE10ARAB9AKDM4EALDH1A1NPC1
SCHEMBL23220151 0.85 PDE10A (0.40) APPPDE10ARAB9AKDM4EALDH1A1
SCHEMBL17626897 0.85 RAB9A (0.65) PDE10ARAB9AKDM4EALDH1A1NPC1
SCHEMBL17626781 0.84 APP (0.51) APPPDE10ARAB9AKDM4EALDH1A1
SCHEMBL17626739 0.84 APP (0.51) APPPDE10A
SCHEMBL17626853 0.84 RAB9A (0.59) APPPDE10ARAB9AKDM4EALDH1A1
SCHEMBL18691292 0.83 PDE10A (0.45) APPPDE10ARAB9AKDM4EALDH1A1
SCHEMBL16220761 0.81 PDE10A (0.41) PDE10ARAB9AKDM4EALDH1A1NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2999701-B1 2-PHENYLIMIDAZO[1,2-A]PYRIMIDINES AS IMAGING AGENTS HOFFMANN LA ROCHE (US) 2017-04-12 EP disclosed